N-(2,6-dibromophenyl)-N-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine

C12H11Br2N3 — CID 12674657

IUPACN-(2,6-dibromophenyl)-N-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine
SMILESC#CCN(C1=NCCN1)c1c(Br)cccc1Br
InChIInChI=1S/C12H11Br2N3/c1-2-8-17(12-15-6-7-16-12)11-9(13)4-3-5-10(11)14/h1,3-5H,6-8H2,(H,15,16)
InChIKeyZNCWIJMJCABQDV-UHFFFAOYSA-N
MW357.05 g/mol
LogP2.61
Rot. Bonds2

About N-(2,6-dibromophenyl)-N-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine

N-(2,6-dibromophenyl)-N-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 12674657) has the molecular formula C12H11Br2N3 and a molecular weight of 357.05 g/mol. Its IUPAC name is N-(2,6-dibromophenyl)-N-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(2,6-dibromophenyl)-N-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine
PubChem CID12674657
Molecular FormulaC12H11Br2N3
Molecular Weight357.05 g/mol
Exact Mass354.93
IUPAC NameN-(2,6-dibromophenyl)-N-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine
SMILESC#CCN(C1=NCCN1)c1c(Br)cccc1Br
InChIInChI=1S/C12H11Br2N3/c1-2-8-17(12-15-6-7-16-12)11-9(13)4-3-5-10(11)14/h1,3-5H,6-8H2,(H,15,16)
InChIKeyZNCWIJMJCABQDV-UHFFFAOYSA-N
XLogP2.61
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.05
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromophenyl)-N-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-(2,6-dibromophenyl)-N-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine (CID 12674657) is N-(2,6-dibromophenyl)-N-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-(2,6-dibromophenyl)-N-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-(2,6-dibromophenyl)-N-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine is C#CCN(C1=NCCN1)c1c(Br)cccc1Br.
What is the InChIKey of N-(2,6-dibromophenyl)-N-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is ZNCWIJMJCABQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2N3/c1-2-8-17(12-15-6-7-16-12)11-9(13)4-3-5-10(11)14/h1,3-5H,6-8H2,(H,15,16).
What are the key properties of N-(2,6-dibromophenyl)-N-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine?
N-(2,6-dibromophenyl)-N-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 357.05 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromophenyl)-N-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 12674657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).